SCHEMBL6827632

SCHEMBL6827632

CC(C)(C)[C@H](NC(=O)Nc1ccccc1Cl)C(=O)N(CC(=O)NO)CC1CCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
ANPEP P15144 1/20 0.43
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.38
MMP2 P08253 6/20 0.37
MMP3 P08254 3/20 0.37
BMP1 P13497 1/20 0.37
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
EPHX2 P34913 1/20 0.36
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6822309 0.98 TAS1R3 (0.47) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL6825244 0.91 MEN1 (0.41) TAS1R3TAS1R1NPC1RAB9AMMP2
SCHEMBL6825851 0.90 TAS1R3 (0.46) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL6825435 0.90 NPC1 (0.43) ANPEPNPC1RAB9AMMP2MMP3
SCHEMBL6825910 0.89 MEN1 (0.37) RAB9APOLBMEN1LMNAMAPT
SCHEMBL6822110 0.89 RAB9A (0.41) TAS1R3TAS1R1NPC1RAB9AMAPT
SCHEMBL6923278 0.88 TAS1R3 (0.38) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL6827631 0.88 TAS1R3 (0.47) TAS1R3TAS1R1ANPEPNPC1RAB9A
SCHEMBL6922062 0.88 SMN1; SMN2 (0.38) NPC1RAB9AMMP2MMP3BMP1
SCHEMBL6822282 0.87 ANPEP (0.45) TAS1R3TAS1R1ANPEPMEN1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed